#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6h n LYS 2 N 0.00 0.61 -3.80 0.03 -0.00 -1.26 -4.50 118.16 109.24 2k6h n LYS 2 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 2k6h n LYS 2 Cb 0.00 -1.19 -0.12 0.00 -0.00 0.00 0.00 35.03 33.72 2k6h n LYS 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2k6h s ARG 3 N 0.59 2.16 0.06 -1.58 0.52 -1.26 -3.95 118.95 115.49 2k6h s ARG 3 Ca 0.00 -3.10 -0.31 0.00 -0.52 0.00 0.00 55.73 51.80 2k6h s ARG 3 Cb 0.00 -3.04 -0.09 0.00 0.52 0.00 0.00 34.95 32.35 2k6h s ARG 3 CO 0.00 -1.30 1.75 -1.50 0.02 0.00 0.00 175.30 174.27 2k6h s ILE 4 N -1.15 2.96 -0.03 1.52 -1.16 -1.26 -5.01 121.20 117.06 2k6h s ILE 4 Ca 0.26 0.32 -0.18 0.00 -0.51 0.00 0.00 60.65 60.54 2k6h s ILE 4 Cb -0.03 -3.20 -0.05 0.00 0.61 0.00 0.00 42.46 39.78 2k6h s ILE 4 CO -0.17 -0.01 0.51 0.54 -2.81 0.00 0.00 174.94 173.00 2k6h s VAL 5 N 3.13 5.01 0.47 4.00 0.11 -1.26 -4.90 120.40 126.96 2k6h s VAL 5 Ca 0.78 1.05 -0.24 0.00 -2.93 0.00 0.00 61.98 60.64 2k6h s VAL 5 Cb -0.41 -3.84 -0.07 0.00 -1.53 0.00 0.00 36.38 30.53 2k6h s VAL 5 CO 0.35 0.44 1.29 -2.16 -3.33 0.00 0.00 175.10 171.69 2k6h s PRO 6 N -0.23 3.64 0.23 1.54 0.04 -1.26 -4.93 135.00 134.03 2k6h s PRO 6 Ca 0.27 2.09 -0.06 0.00 0.04 0.00 0.00 61.00 63.35 2k6h s PRO 6 Cb -0.17 -2.50 0.21 0.00 0.04 0.00 0.00 34.50 32.07 2k6h s PRO 6 CO 0.14 -0.74 1.76 0.87 0.04 0.00 0.00 177.00 179.07 2k6h h LYS 7 N 2.11 1.07 -4.00 4.56 1.79 -1.95 -3.43 116.57 116.73 2k6h h LYS 7 Ca -0.50 -0.23 -0.18 0.00 -2.18 0.00 0.00 60.65 57.55 2k6h h LYS 7 Cb 1.26 -0.15 -0.22 0.00 -1.58 0.00 0.00 32.23 31.54 2k6h h LYS 7 CO 0.60 0.93 -0.70 -0.06 -1.08 0.00 0.00 179.45 179.13 2k6h s PHE 8 N -5.34 0.27 -0.26 -1.35 0.08 -1.26 -5.13 117.98 104.98 2k6h s PHE 8 Ca -0.11 -0.47 -0.18 0.00 0.12 0.00 0.00 56.93 56.28 2k6h s PHE 8 Cb 0.15 -0.19 -0.03 0.00 -0.57 0.00 0.00 43.02 42.39 2k6h s PHE 8 CO 0.83 -0.16 0.54 -0.08 -0.10 0.00 0.00 175.22 176.25 2k6h s THR 9 N -1.30 5.05 -0.26 0.64 -1.32 -1.26 -4.93 115.64 112.25 2k6h s THR 9 Ca -0.14 0.93 -0.18 0.00 -1.21 0.00 0.00 61.69 61.08 2k6h s THR 9 Cb -0.09 -3.85 -0.03 0.00 -1.51 0.00 0.00 72.50 67.02 2k6h s THR 9 CO -0.01 0.07 0.54 -1.61 -2.21 0.00 0.00 174.62 171.40 2k6h s GLU 10 N 2.35 4.08 -0.11 7.08 0.41 -1.24 -5.03 118.70 126.24 2k6h s GLU 10 Ca 0.22 0.37 0.01 0.00 -0.41 0.00 0.00 54.97 55.17 2k6h s GLU 10 Cb -0.16 -3.65 -0.01 0.00 -1.78 0.00 0.00 34.13 28.53 2k6h s GLU 10 CO 0.09 -0.36 -0.16 0.42 -0.49 0.00 0.00 175.26 174.76 2k6h s ILE 11 N 2.32 2.76 -0.30 -1.63 1.01 -1.26 -1.13 121.20 122.96 2k6h s ILE 11 Ca 0.22 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 2k6h s ILE 11 Cb -0.16 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.21 2k6h s ILE 11 CO 0.09 0.54 0.08 0.12 0.00 0.00 0.00 174.94 175.77 2k6h s PHE 12 N 0.26 3.17 0.23 3.97 5.36 -0.10 -4.97 117.98 125.90 2k6h s PHE 12 Ca -0.11 -1.10 -0.32 0.00 -0.96 0.00 0.00 56.93 54.44 2k6h s PHE 12 Cb -0.16 -2.25 -0.12 0.00 -0.34 0.00 0.00 43.02 40.14 2k6h s PHE 12 CO 0.06 -0.62 1.61 -2.30 -1.46 0.00 0.00 175.22 172.51 2k6h n PRO 13 N 4.85 2.51 -0.08 10.12 -0.02 -1.26 -1.95 135.00 149.17 2k6h n PRO 13 Ca -0.14 0.90 -0.07 0.00 -2.02 0.00 0.00 63.50 62.17 2k6h n PRO 13 Cb 0.47 -2.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.13 2k6h n PRO 13 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2k6h n VAL 14 N 2.96 1.07 0.68 -1.45 0.31 -0.87 -4.63 118.33 116.41 2k6h n VAL 14 Ca 0.13 -0.72 0.12 0.00 -0.01 0.00 0.00 64.34 63.87 2k6h n VAL 14 Cb 0.34 -0.45 0.22 0.00 -0.91 0.00 0.00 33.84 33.03 2k6h n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k6h n GLU 15 N -2.60 0.22 -4.36 5.55 4.71 -1.26 -4.77 120.64 118.13 2k6h n GLU 15 Ca -0.26 0.07 -0.25 0.00 -0.01 0.00 0.00 57.16 56.71 2k6h n GLU 15 Cb 1.01 -1.64 -0.17 0.00 -1.01 0.00 0.00 31.44 29.63 2k6h n GLU 15 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2k6h s ASP 16 N -3.92 1.80 0.00 1.62 2.15 -1.26 -5.04 116.67 112.01 2k6h s ASP 16 Ca 0.08 -0.28 -0.02 0.00 0.43 0.00 0.00 52.55 52.76 2k6h s ASP 16 Cb 0.14 -0.79 -0.07 0.00 -0.30 0.00 0.00 42.92 41.90 2k6h s ASP 16 CO 0.70 -0.02 2.14 0.00 -0.17 0.00 0.00 175.17 177.83 2k6h n ALA 17 N 4.15 4.21 0.10 3.66 0.00 -1.26 -4.48 120.51 126.88 2k6h n ALA 17 Ca -0.20 -0.51 -0.04 0.00 0.00 0.00 0.00 53.44 52.69 2k6h n ALA 17 Cb 0.51 -1.55 0.13 0.00 0.00 0.00 0.00 19.45 18.55 2k6h n ALA 17 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2k6h h ASN 18 N 2.17 0.20 -3.47 0.00 -0.73 -1.96 -3.42 115.58 108.38 2k6h h ASN 18 Ca 0.05 -0.12 -0.58 0.00 1.87 0.00 0.00 56.30 57.53 2k6h h ASN 18 Cb 0.98 -0.06 -0.38 0.00 0.27 0.00 0.00 38.32 39.12 2k6h h ASN 18 CO 0.09 0.76 -0.78 -0.31 -0.37 0.00 0.00 177.43 176.82 2k6h s TYR 19 N -3.72 1.91 0.89 0.67 2.02 -1.26 -5.14 117.35 112.73 2k6h s TYR 19 Ca -0.03 -1.38 -0.12 0.00 -0.37 0.00 0.00 57.07 55.17 2k6h s TYR 19 Cb 0.12 -1.39 0.09 0.00 -0.40 0.00 0.00 41.96 40.39 2k6h s TYR 19 CO 0.79 -0.70 0.93 -2.30 -1.57 0.00 0.00 175.55 172.70 2k6h n PRO 20 N 4.81 -0.24 -0.20 -1.71 -0.02 -1.26 -4.87 135.00 131.51 2k6h n PRO 20 Ca -0.11 -0.01 -0.08 0.00 -2.02 0.00 0.00 63.50 61.27 2k6h n PRO 20 Cb 0.46 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 2k6h n PRO 20 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2k6h h TYR 21 N -1.52 0.95 -0.45 6.00 -1.99 -1.90 -1.83 116.97 116.23 2k6h h TYR 21 Ca -0.44 -0.12 0.07 0.00 2.00 0.00 0.00 58.73 60.25 2k6h h TYR 21 Cb 1.28 -0.27 -0.06 0.00 2.00 0.00 0.00 36.73 39.68 2k6h h TYR 21 CO 0.45 0.82 0.08 1.03 -0.00 0.00 0.00 178.16 180.55 2k6h h SER 22 N 0.81 -0.01 0.34 3.88 0.87 -1.93 0.21 113.55 117.72 2k6h h SER 22 Ca 0.18 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 2k6h h SER 22 Cb 0.35 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2k6h h SER 22 CO 0.00 0.03 -0.16 0.00 -0.53 0.00 0.00 176.83 176.17 2k6h h ALA 23 N 1.35 -0.45 0.23 6.23 0.00 -1.91 -1.44 119.26 123.26 2k6h h ALA 23 Ca 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2k6h h ALA 23 Cb 0.28 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k6h h ALA 23 CO -0.29 -0.70 -0.11 0.35 0.00 0.00 0.00 179.25 178.50 2k6h h PHE 24 N -0.57 -0.29 -0.61 0.00 3.57 -0.76 -0.87 116.94 117.42 2k6h h PHE 24 Ca -0.05 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.49 2k6h h PHE 24 Cb 0.42 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 2k6h h PHE 24 CO -0.02 -0.15 0.35 0.82 -2.23 0.00 0.00 178.31 177.08 2k6h h ILE 25 N -0.36 1.03 -0.43 1.41 1.08 -0.68 -1.38 117.51 118.18 2k6h h ILE 25 Ca -0.03 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.23 2k6h h ILE 25 Cb 0.28 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 2k6h h ILE 25 CO 0.05 0.13 0.23 0.00 -0.69 0.00 0.00 178.15 177.87 2k6h h ALA 26 N 1.29 0.54 -0.20 1.87 0.00 -1.01 0.79 119.26 122.54 2k6h h ALA 26 Ca 0.26 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.21 2k6h h ALA 26 Cb 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2k6h h ALA 26 CO -0.13 -0.10 -0.05 1.03 0.00 0.00 0.00 179.25 179.99 2k6h h SER 27 N 0.47 -0.20 -0.63 0.00 0.87 -0.39 0.16 113.55 113.84 2k6h h SER 27 Ca 0.18 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 2k6h h SER 27 Cb 0.05 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2k6h h SER 27 CO -0.10 -0.07 0.27 0.58 -0.53 0.00 0.00 176.83 176.98 2k6h h VAL 28 N -0.01 1.23 -0.36 2.23 2.07 -1.00 -2.74 116.25 117.67 2k6h h VAL 28 Ca 0.10 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2k6h h VAL 28 Cb 0.15 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2k6h h VAL 28 CO -0.21 0.28 0.21 -0.09 0.02 0.00 0.00 177.57 177.78 2k6h h ARG 29 N 0.94 0.50 -0.80 1.57 2.43 0.23 -1.57 114.38 117.69 2k6h h ARG 29 Ca 0.22 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.42 2k6h h ARG 29 Cb 0.17 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 2k6h h ARG 29 CO -0.02 0.41 0.52 0.87 -1.51 0.00 0.00 179.97 180.24 2k6h h LYS 30 N 0.47 0.78 0.09 0.20 1.79 -0.73 -1.49 116.57 117.68 2k6h h LYS 30 Ca 0.13 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2k6h h LYS 30 Cb 0.04 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2k6h h LYS 30 CO -0.02 0.51 -0.04 0.22 -1.08 0.00 0.00 179.45 179.04 2k6h h ASP 31 N 0.80 -0.10 0.51 0.86 3.58 -1.13 -3.20 116.42 117.73 2k6h h ASP 31 Ca 0.36 -0.34 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2k6h h ASP 31 Cb 0.35 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.43 2k6h h ASP 31 CO -0.14 0.30 -0.11 1.62 -2.88 0.00 0.00 179.24 178.04 2k6h h VAL 32 N -0.53 0.44 0.00 2.25 3.04 -0.92 -1.13 116.25 119.38 2k6h h VAL 32 Ca -0.01 -0.57 -0.00 0.00 -1.01 0.00 0.00 66.70 65.10 2k6h h VAL 32 Cb 0.44 1.40 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 2k6h h VAL 32 CO 0.02 0.11 -0.01 0.40 -1.01 0.00 0.00 177.57 177.08 2k6h h ILE 33 N 0.00 0.18 0.00 3.17 2.04 -1.27 0.39 117.51 122.02 2k6h h ILE 33 Ca -0.00 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 2k6h h ILE 33 Cb 0.39 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2k6h h ILE 33 CO 0.01 0.01 -0.25 0.11 0.00 0.00 0.00 178.15 178.04 2k6h h LYS 34 N 0.00 0.00 0.00 2.37 1.57 -1.29 -3.29 116.57 115.93 2k6h h LYS 34 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2k6h h LYS 34 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2k6h h LYS 34 CO 0.00 0.25 -1.88 0.72 -0.57 0.00 0.00 179.45 177.97 2k6h n HIS 35 N -4.25 0.00 -1.30 -1.35 8.25 0.01 -5.04 115.22 111.54 2k6h n HIS 35 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 2k6h n HIS 35 Cb 0.30 -0.52 0.10 0.00 1.12 0.00 0.00 29.99 30.98 2k6h n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k6h s THR 37 N -1.88 3.70 -0.06 0.00 -4.23 -0.35 -4.93 115.64 107.89 2k6h s THR 37 Ca 0.74 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 60.63 2k6h s THR 37 Cb -0.33 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 2k6h s THR 37 CO 0.50 -0.23 -0.07 -0.62 -0.54 0.00 0.00 174.62 173.67 2k6h s ASP 38 N -4.26 4.66 -0.01 3.99 2.15 -1.26 -2.30 116.67 119.64 2k6h s ASP 38 Ca 0.50 -0.03 0.01 0.00 0.43 0.00 0.00 52.55 53.46 2k6h s ASP 38 Cb -0.10 -1.16 0.01 0.00 -0.30 0.00 0.00 42.92 41.36 2k6h s ASP 38 CO 0.37 0.35 -0.02 -2.28 -0.17 0.00 0.00 175.17 173.42 2k6h s HIS 39 N -0.84 0.29 0.80 -5.34 5.65 -1.26 -5.01 115.29 109.59 2k6h s HIS 39 Ca 0.13 -0.04 -0.12 0.00 0.25 0.00 0.00 55.06 55.29 2k6h s HIS 39 Cb -0.11 -0.25 0.08 0.00 -1.18 0.00 0.00 32.58 31.11 2k6h s HIS 39 CO 0.02 -0.05 1.14 0.15 -0.65 0.00 0.00 174.74 175.35 2k6h s LYS 40 N 0.28 1.85 0.00 2.88 -0.14 -1.26 -3.42 119.74 119.93 2k6h s LYS 40 Ca -0.03 1.44 0.00 0.00 -1.36 0.00 0.00 55.97 56.03 2k6h s LYS 40 Cb -0.05 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 34.27 2k6h s LYS 40 CO -0.01 -1.99 0.00 0.41 -0.76 0.00 0.00 175.35 173.00 2k6h n GLY 41 N -0.32 1.24 3.66 -3.33 0.00 -1.26 -4.95 105.19 100.23 2k6h n GLY 41 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2k6h n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k6h s ILE 42 N 0.00 3.49 0.04 -0.61 1.01 -1.22 -4.75 121.20 119.16 2k6h s ILE 42 Ca 0.00 0.62 -0.21 0.00 0.00 0.00 0.00 60.65 61.06 2k6h s ILE 42 Cb 0.00 -3.40 -0.15 0.00 0.01 0.00 0.00 42.46 38.92 2k6h s ILE 42 CO 0.00 -0.05 1.37 0.15 0.00 0.00 0.00 174.94 176.41 2k6h h PHE 43 N 9.55 0.33 -4.31 3.97 3.04 -1.92 -3.46 116.94 124.14 2k6h h PHE 43 Ca -0.41 -0.09 -0.51 0.00 3.98 0.00 0.00 57.97 60.94 2k6h h PHE 43 Cb 1.19 -0.07 0.13 0.00 2.56 0.00 0.00 35.95 39.75 2k6h h PHE 43 CO 0.89 0.65 0.32 -0.65 -2.02 0.00 0.00 178.31 177.49 2k6h s GLN 44 N -4.46 2.29 0.57 1.11 -0.21 -1.26 -5.03 119.66 112.67 2k6h s GLN 44 Ca -0.14 1.14 -0.19 0.00 0.02 0.00 0.00 55.36 56.18 2k6h s GLN 44 Cb 0.05 -1.90 -0.04 0.00 1.00 0.00 0.00 33.01 32.11 2k6h s GLN 44 CO 0.73 -1.61 1.20 -1.25 -2.12 0.00 0.00 175.29 172.24 2k6h s PRO 45 N -4.92 3.13 -0.11 2.91 0.04 -1.26 -4.91 135.00 129.87 2k6h s PRO 45 Ca 0.61 1.80 -0.06 0.00 0.04 0.00 0.00 61.00 63.39 2k6h s PRO 45 Cb -0.17 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2k6h s PRO 45 CO 0.56 -1.07 0.12 0.08 0.04 0.00 0.00 177.00 176.72 2k6h s VAL 46 N -1.61 5.30 0.49 -0.36 1.01 -0.97 -3.52 120.40 120.74 2k6h s VAL 46 Ca 0.75 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 2k6h s VAL 46 Cb -0.29 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 2k6h s VAL 46 CO 0.32 0.61 1.25 -0.22 0.00 0.00 0.00 175.10 177.06 2k6h s LEU 47 N -1.02 3.95 0.64 3.92 2.96 -0.83 -1.21 118.68 127.09 2k6h s LEU 47 Ca 0.15 2.50 -0.17 0.00 -0.22 0.00 0.00 54.13 56.38 2k6h s LEU 47 Cb -0.12 -4.25 -0.03 0.00 0.50 0.00 0.00 46.19 42.28 2k6h s LEU 47 CO 0.04 -1.19 0.90 -2.65 -1.32 0.00 0.00 176.35 172.14 2k6h n PRO 48 N -0.71 0.71 -1.13 0.98 -0.02 -1.26 -4.02 135.00 129.55 2k6h n PRO 48 Ca 0.09 0.29 -0.30 0.00 -2.02 0.00 0.00 63.50 61.55 2k6h n PRO 48 Cb 0.47 -2.13 0.13 0.00 -0.02 0.00 0.00 33.50 31.94 2k6h n PRO 48 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2k6h s PRO 49 N -2.88 1.58 0.23 0.52 0.04 -1.26 -4.62 135.00 128.60 2k6h s PRO 49 Ca 0.75 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 2k6h s PRO 49 Cb -0.39 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 2k6h s PRO 49 CO 0.48 -2.09 1.17 -2.00 0.04 0.00 0.00 177.00 174.60 2k6h s GLU 50 N -4.86 4.53 0.18 4.56 2.12 -1.26 -4.88 118.70 119.09 2k6h s GLU 50 Ca 0.63 1.87 0.09 0.00 0.36 0.00 0.00 54.97 57.92 2k6h s GLU 50 Cb -0.19 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2k6h s GLU 50 CO 0.57 0.01 -0.19 0.15 -0.54 0.00 0.00 175.26 175.27 2k6h s LYS 51 N -0.78 1.33 0.01 4.30 -0.14 -1.26 -5.10 119.74 118.10 2k6h s LYS 51 Ca 0.49 -1.46 -0.21 0.00 -1.36 0.00 0.00 55.97 53.44 2k6h s LYS 51 Cb -0.33 -1.40 -0.11 0.00 -1.68 0.00 0.00 37.83 34.31 2k6h s LYS 51 CO 0.39 0.28 1.01 -0.22 -0.76 0.00 0.00 175.35 176.06 2k6h h LYS 52 N 3.12 -0.72 -2.57 1.68 3.64 -2.00 -3.41 116.57 116.30 2k6h h LYS 52 Ca -0.42 0.05 -0.59 0.00 -1.27 0.00 0.00 60.65 58.42 2k6h h LYS 52 Cb 1.21 0.16 -0.39 0.00 -0.41 0.00 0.00 32.23 32.81 2k6h h LYS 52 CO 0.52 -0.48 -0.87 0.14 -2.27 0.00 0.00 179.45 176.49 2k6h s VAL 53 N -4.16 0.45 0.95 2.00 -7.23 -1.26 -4.98 120.40 106.16 2k6h s VAL 53 Ca -0.11 -2.21 -0.12 0.00 -1.81 0.00 0.00 61.98 57.73 2k6h s VAL 53 Cb 0.01 -1.32 0.16 0.00 0.56 0.00 0.00 36.38 35.79 2k6h s VAL 53 CO 0.33 -1.06 1.09 -2.16 -0.31 0.00 0.00 175.10 172.99 2k6h s PRO 54 N 0.56 0.82 0.40 4.82 0.04 -1.26 -4.96 135.00 135.42 2k6h s PRO 54 Ca 0.23 0.63 0.18 0.00 0.04 0.00 0.00 61.00 62.09 2k6h s PRO 54 Cb -0.13 -1.77 0.85 0.00 0.04 0.00 0.00 34.50 33.49 2k6h s PRO 54 CO -0.07 -2.49 1.84 0.93 0.04 0.00 0.00 177.00 177.25 2k6h h GLU 55 N -1.72 0.00 -3.63 4.56 5.08 -2.00 -3.46 114.58 113.40 2k6h h GLU 55 Ca -0.52 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 2k6h h GLU 55 Cb 1.31 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.46 2k6h h GLU 55 CO 0.57 0.32 -0.13 -0.48 -1.00 0.00 0.00 179.01 178.29 2k6h s LEU 56 N -7.51 0.38 0.35 1.33 0.05 -1.26 -4.62 118.68 107.39 2k6h s LEU 56 Ca -0.02 -0.85 -0.16 0.00 0.05 0.00 0.00 54.13 53.15 2k6h s LEU 56 Cb 0.13 1.74 0.04 0.00 -2.05 0.00 0.00 46.19 46.05 2k6h s LEU 56 CO 0.68 -1.09 0.75 -1.66 -0.55 0.00 0.00 176.35 174.48 2k6h s TRP 57 N -3.99 0.08 -0.78 3.48 1.48 -1.26 -4.99 118.94 112.97 2k6h s TRP 57 Ca 0.20 -0.67 -0.24 0.00 -1.06 0.00 0.00 56.10 54.32 2k6h s TRP 57 Cb -0.00 0.74 0.05 0.00 -1.16 0.00 0.00 33.47 33.10 2k6h s TRP 57 CO 0.06 -1.44 1.21 -0.51 -4.06 0.00 0.00 176.95 172.21 2k6h s LEU 58 N -3.03 3.70 -0.33 -4.66 1.43 -1.13 -4.96 118.68 109.70 2k6h s LEU 58 Ca 0.15 -0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 52.30 2k6h s LEU 58 Cb -0.05 -2.51 0.04 0.00 0.03 0.00 0.00 46.19 43.70 2k6h s LEU 58 CO 0.11 -1.61 0.07 -0.47 0.23 0.00 0.00 176.35 174.67 2k6h s TYR 59 N 4.91 3.26 -0.21 0.29 6.14 -1.26 -1.83 117.35 128.65 2k6h s TYR 59 Ca 0.33 -1.59 -0.01 0.00 0.64 0.00 0.00 57.07 56.45 2k6h s TYR 59 Cb -0.09 -2.24 0.06 0.00 0.42 0.00 0.00 41.96 40.11 2k6h s TYR 59 CO 0.07 -0.76 -0.02 0.99 0.64 0.00 0.00 175.55 176.47 2k6h s THR 60 N 1.35 1.11 0.03 4.34 2.01 -1.17 -3.71 115.64 119.60 2k6h s THR 60 Ca -0.03 -0.93 -0.24 0.00 0.31 0.00 0.00 61.69 60.81 2k6h s THR 60 Cb -0.20 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 2k6h s THR 60 CO 0.01 -0.13 0.72 -1.61 -0.69 0.00 0.00 174.62 172.93 2k6h s GLU 61 N 1.59 4.45 -0.46 4.92 2.02 -0.29 -0.96 118.70 129.98 2k6h s GLU 61 Ca -0.04 0.98 -0.10 0.00 0.02 0.00 0.00 54.97 55.83 2k6h s GLU 61 Cb -0.18 -3.36 0.10 0.00 0.10 0.00 0.00 34.13 30.79 2k6h s GLU 61 CO -0.07 0.30 0.33 -0.51 0.02 0.00 0.00 175.26 175.33 2k6h s LEU 62 N -0.07 5.53 0.14 1.80 2.01 0.14 -0.92 118.68 127.30 2k6h s LEU 62 Ca 0.37 -1.73 -0.29 0.00 0.01 0.00 0.00 54.13 52.49 2k6h s LEU 62 Cb -0.20 -2.02 -0.07 0.00 0.01 0.00 0.00 46.19 43.91 2k6h s LEU 62 CO 0.21 -0.64 0.91 -0.75 1.01 0.00 0.00 176.35 177.09 2k6h s LYS 63 N 1.41 4.70 0.47 1.70 2.20 -0.82 -2.87 119.74 126.54 2k6h s LYS 63 Ca 0.04 1.38 0.03 0.00 -0.36 0.00 0.00 55.97 57.07 2k6h s LYS 63 Cb -0.25 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2k6h s LYS 63 CO 0.01 0.33 0.00 0.95 -0.36 0.00 0.00 175.35 176.28 2k6h s THR 64 N -0.39 1.47 -0.81 3.43 -4.23 -0.21 -2.04 115.64 112.85 2k6h s THR 64 Ca 0.43 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.16 2k6h s THR 64 Cb -0.24 -2.47 0.20 0.00 1.34 0.00 0.00 72.50 71.33 2k6h s THR 64 CO 0.29 0.00 1.66 -2.11 -0.54 0.00 0.00 174.62 173.92 2k6h n ARG 65 N -1.15 0.09 0.00 3.99 1.85 -1.26 -3.92 116.66 116.25 2k6h n ARG 65 Ca -0.14 0.25 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 2k6h n ARG 65 Cb 0.67 -1.65 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 2k6h n ARG 65 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2k6h n THR 66 N -1.82 0.00 -4.00 8.89 -2.24 -1.26 -5.11 114.28 108.75 2k6h n THR 66 Ca 0.04 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 2k6h n THR 66 Cb 0.25 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 2k6h n THR 66 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k6h s SER 67 N -2.26 0.75 0.09 3.42 0.01 -1.25 -5.05 113.70 109.40 2k6h s SER 67 Ca 0.00 -1.45 -0.14 0.00 1.31 0.00 0.00 55.95 55.68 2k6h s SER 67 Cb 0.00 0.74 0.02 0.00 0.21 0.00 0.00 66.02 67.00 2k6h s SER 67 CO 0.00 -1.47 0.32 -0.94 0.41 0.00 0.00 173.24 171.56 2k6h s SER 68 N -3.21 -0.11 0.11 2.44 1.04 -1.26 -1.04 113.70 111.66 2k6h s SER 68 Ca 0.26 -0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.32 2k6h s SER 68 Cb -0.02 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 2k6h s SER 68 CO 0.19 -0.74 0.08 0.27 0.98 0.00 0.00 173.24 174.02 2k6h s ILE 69 N -3.37 0.13 -0.17 -1.02 -4.36 -1.14 -4.31 121.20 106.96 2k6h s ILE 69 Ca 0.01 -1.74 -0.05 0.00 -0.26 0.00 0.00 60.65 58.60 2k6h s ILE 69 Cb 0.02 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 2k6h s ILE 69 CO -0.09 -0.58 0.01 -0.89 0.24 0.00 0.00 174.94 173.63 2k6h s THR 70 N -3.99 4.31 -0.24 8.37 2.01 -0.96 -0.68 115.64 124.46 2k6h s THR 70 Ca 0.17 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 61.72 2k6h s THR 70 Cb 0.07 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 2k6h s THR 70 CO -0.02 0.48 0.83 -0.76 -0.69 0.00 0.00 174.62 174.45 2k6h s LEU 71 N 0.36 4.09 -0.51 4.42 1.43 -0.13 -0.83 118.68 127.51 2k6h s LEU 71 Ca -0.01 1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.95 2k6h s LEU 71 Cb -0.13 -3.19 0.07 0.00 0.03 0.00 0.00 46.19 42.96 2k6h s LEU 71 CO 0.02 -0.51 0.58 0.00 0.23 0.00 0.00 176.35 176.67 2k6h s ALA 72 N 2.80 3.43 -0.26 4.21 0.00 -0.45 -3.04 121.76 128.45 2k6h s ALA 72 Ca 0.35 -1.88 -0.07 0.00 0.00 0.00 0.00 51.96 50.36 2k6h s ALA 72 Cb -0.15 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2k6h s ALA 72 CO 0.08 -1.99 0.08 0.42 0.00 0.00 0.00 175.76 174.35 2k6h s ILE 73 N 2.41 4.24 -0.43 0.00 -1.09 -0.76 -2.08 121.20 123.50 2k6h s ILE 73 Ca 0.12 -0.30 -0.29 0.00 -2.23 0.00 0.00 60.65 57.95 2k6h s ILE 73 Cb -0.21 -3.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.66 2k6h s ILE 73 CO 0.10 0.27 1.16 -0.60 -1.23 0.00 0.00 174.94 174.64 2k6h s ARG 74 N 1.59 3.78 0.59 2.79 6.06 -1.26 -2.82 118.95 129.68 2k6h s ARG 74 Ca 0.06 0.73 0.30 0.00 -2.50 0.00 0.00 55.73 54.31 2k6h s ARG 74 Cb -0.16 -3.89 1.77 0.00 0.06 0.00 0.00 34.95 32.74 2k6h s ARG 74 CO 0.03 -1.30 2.19 0.00 -2.50 0.00 0.00 175.30 173.73 2k6h h MET 75 N 9.16 0.00 0.00 5.12 -0.00 -1.94 -0.73 114.93 126.55 2k6h h MET 75 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.47 2k6h h MET 75 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.67 2k6h h MET 75 CO 1.10 0.00 0.00 -0.44 -0.00 0.00 0.00 176.91 177.57 2k6h h ASP 76 N 0.00 0.00 0.00 -0.10 5.19 -1.90 -3.36 116.42 116.26 2k6h h ASP 76 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2k6h h ASP 76 Cb 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2k6h h ASP 76 CO -0.00 0.00 -0.48 -3.20 -3.12 0.00 0.00 179.24 172.44 2k6h n ASN 77 N -3.08 2.23 -3.68 6.45 2.85 -0.50 -4.55 115.26 114.99 2k6h n ASN 77 Ca -0.01 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.20 2k6h n ASN 77 Cb 0.18 0.15 0.02 0.00 1.24 0.00 0.00 39.78 41.37 2k6h n ASN 77 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2k6h n LEU 78 N -1.49 -2.78 0.00 1.20 4.77 -0.40 -4.97 117.00 113.33 2k6h n LEU 78 Ca 0.00 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 2k6h n LEU 78 Cb 0.24 -2.15 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 2k6h n LEU 78 CO 0.00 0.22 0.00 0.00 -1.33 0.00 0.00 177.39 176.28 2k6h n TYR 79 N -3.33 0.00 -3.56 -1.77 4.19 -1.26 -5.03 117.16 106.40 2k6h n TYR 79 Ca -0.16 0.00 -0.16 0.00 3.31 0.00 0.00 57.90 60.89 2k6h n TYR 79 Cb 0.61 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.38 2k6h n TYR 79 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 2k6h s LEU 80 N 0.00 -0.64 -0.04 2.98 0.20 -1.26 -4.77 118.68 115.14 2k6h s LEU 80 Ca 0.00 0.91 0.06 0.00 0.69 0.00 0.00 54.13 55.79 2k6h s LEU 80 Cb 0.00 2.41 -0.08 0.00 -0.43 0.00 0.00 46.19 48.09 2k6h s LEU 80 CO 0.00 -0.45 0.06 1.33 -0.29 0.00 0.00 176.35 177.00 2k6h n VAL 81 N 1.49 0.27 -3.94 1.68 0.24 -0.88 -4.94 118.33 112.25 2k6h n VAL 81 Ca -0.16 -0.21 0.02 0.00 -2.04 0.00 0.00 64.34 61.94 2k6h n VAL 81 Cb 0.56 -0.45 0.01 0.00 -1.47 0.00 0.00 33.84 32.49 2k6h n VAL 81 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k6h n GLY 82 N 2.48 0.40 3.17 7.63 0.00 -1.22 -2.08 105.19 115.56 2k6h n GLY 82 Ca -0.07 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 2k6h n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k6h s PHE 83 N -2.49 0.94 -0.16 1.61 -0.71 -0.77 -1.34 117.98 115.08 2k6h s PHE 83 Ca 0.18 -0.79 -0.06 0.00 -1.04 0.00 0.00 56.93 55.22 2k6h s PHE 83 Cb -0.01 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.24 2k6h s PHE 83 CO -0.00 -0.08 0.05 0.50 -1.34 0.00 0.00 175.22 174.34 2k6h s ARG 84 N -3.31 3.71 0.21 1.99 3.52 -0.01 -0.79 118.95 124.27 2k6h s ARG 84 Ca 0.08 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.36 2k6h s ARG 84 Cb 0.01 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 2k6h s ARG 84 CO -0.02 0.40 0.34 0.95 -0.81 0.00 0.00 175.30 176.15 2k6h s THR 85 N 0.01 5.28 -0.17 4.11 -4.23 -1.20 -2.25 115.64 117.18 2k6h s THR 85 Ca 0.05 -0.85 -0.34 0.00 -1.18 0.00 0.00 61.69 59.37 2k6h s THR 85 Cb -0.12 -3.82 -0.11 0.00 1.34 0.00 0.00 72.50 69.79 2k6h s THR 85 CO 0.01 -0.25 1.97 -2.65 -0.54 0.00 0.00 174.62 173.16 2k6h n PRO 86 N -1.11 1.86 0.00 3.99 -0.02 -1.26 -2.96 135.00 135.50 2k6h n PRO 86 Ca -0.08 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2k6h n PRO 86 Cb 0.56 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2k6h n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k6h n GLY 87 N 4.95 2.65 0.00 -1.23 0.00 -1.26 -4.99 105.19 105.32 2k6h n GLY 87 Ca 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2k6h n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6h n GLY 88 N 0.00 1.31 3.95 -0.02 0.00 -1.16 -5.14 105.19 104.13 2k6h n GLY 88 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2k6h n GLY 88 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k6h s VAL 89 N -0.18 2.46 0.16 1.61 -7.23 -1.26 -4.94 120.40 111.01 2k6h s VAL 89 Ca 0.00 -0.48 0.07 0.00 -1.81 0.00 0.00 61.98 59.76 2k6h s VAL 89 Cb 0.00 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 2k6h s VAL 89 CO 0.00 0.00 -0.02 0.26 -0.31 0.00 0.00 175.10 175.03 2k6h s TRP 90 N -3.01 2.82 -0.22 2.82 0.51 -1.26 -3.24 118.94 117.37 2k6h s TRP 90 Ca 0.59 -0.14 -0.05 0.00 -2.12 0.00 0.00 56.10 54.38 2k6h s TRP 90 Cb -0.10 -1.39 -0.02 0.00 -0.81 0.00 0.00 33.47 31.15 2k6h s TRP 90 CO 0.42 0.51 0.00 -1.58 -0.51 0.00 0.00 176.95 175.78 2k6h s TRP 91 N -1.64 3.02 -0.06 -1.98 0.52 0.03 -2.62 118.94 116.21 2k6h s TRP 91 Ca 0.26 -0.62 -0.17 0.00 0.02 0.00 0.00 56.10 55.59 2k6h s TRP 91 Cb -0.10 -2.13 -0.05 0.00 -1.15 0.00 0.00 33.47 30.05 2k6h s TRP 91 CO 0.18 -0.38 0.46 -2.00 0.02 0.00 0.00 176.95 175.22 2k6h s GLU 92 N 1.32 4.18 -0.72 4.98 2.12 -0.07 -1.84 118.70 128.66 2k6h s GLU 92 Ca 0.04 0.45 -0.26 0.00 0.36 0.00 0.00 54.97 55.56 2k6h s GLU 92 Cb -0.15 -3.34 0.04 0.00 0.26 0.00 0.00 34.13 30.94 2k6h s GLU 92 CO 0.01 0.40 1.22 -0.06 -0.54 0.00 0.00 175.26 176.28 2k6h s PHE 93 N -0.17 2.36 -0.57 5.30 0.08 -0.89 -1.53 117.98 122.57 2k6h s PHE 93 Ca 0.25 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.15 2k6h s PHE 93 Cb -0.16 -4.56 0.00 0.00 -0.57 0.00 0.00 43.02 37.73 2k6h s PHE 93 CO 0.12 -1.99 0.00 0.41 -0.10 0.00 0.00 175.22 173.66 2k6h n GLY 94 N 5.37 -1.29 2.99 4.36 0.00 -1.22 -4.95 105.19 110.45 2k6h n GLY 94 Ca 0.02 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 2k6h n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k6h s LYS 95 N -1.83 0.19 -0.36 1.61 2.36 -1.26 -0.80 119.74 119.66 2k6h s LYS 95 Ca 0.00 -0.05 -0.11 0.00 -2.55 0.00 0.00 55.97 53.26 2k6h s LYS 95 Cb 0.00 0.08 0.02 0.00 -1.05 0.00 0.00 37.83 36.88 2k6h s LYS 95 CO 0.00 -0.03 0.36 -3.47 1.55 0.00 0.00 175.35 173.75 2k6h n ASP 96 N 2.59 -2.87 0.00 1.43 2.03 -1.26 -4.85 116.55 113.62 2k6h n ASP 96 Ca -0.15 -0.33 0.00 0.00 0.52 0.00 0.00 54.79 54.83 2k6h n ASP 96 Cb 0.58 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 2k6h n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k6h n GLY 97 N -0.63 -0.17 3.76 0.27 0.00 -1.26 -5.15 105.19 102.02 2k6h n GLY 97 Ca -0.12 0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2k6h n GLY 97 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k6h s ASP 98 N 0.00 5.45 0.18 1.61 -4.77 -1.26 -5.01 116.67 112.86 2k6h s ASP 98 Ca 0.00 2.50 -0.03 0.00 -3.30 0.00 0.00 52.55 51.72 2k6h s ASP 98 Cb 0.00 -2.61 -0.03 0.00 -1.09 0.00 0.00 42.92 39.18 2k6h s ASP 98 CO 0.00 -1.43 0.16 0.42 0.70 0.00 0.00 175.17 175.02 2k6h s THR 99 N -1.47 0.04 -1.84 2.11 -4.23 -1.26 -5.00 115.64 103.99 2k6h s THR 99 Ca 0.72 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2k6h s THR 99 Cb -0.34 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.28 2k6h s THR 99 CO 0.39 -0.20 0.61 0.00 -0.54 0.00 0.00 174.62 174.88 2k6h n HIS 100 N -0.21 0.00 0.01 3.99 1.44 -1.26 -3.94 115.22 115.25 2k6h n HIS 100 Ca -0.02 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.73 2k6h n HIS 100 Cb 0.64 -0.01 0.43 0.00 0.12 0.00 0.00 29.99 31.18 2k6h n HIS 100 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2k6h h LEU 101 N 0.05 0.45 -0.50 2.39 -0.00 -1.94 -0.72 115.31 115.04 2k6h h LEU 101 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2k6h h LEU 101 Cb 0.05 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2k6h h LEU 101 CO 0.00 0.33 0.00 0.18 -0.00 0.00 0.00 178.44 178.95 2k6h n LEU 102 N -4.48 0.68 0.00 1.67 7.99 -1.25 -4.87 117.00 116.74 2k6h n LEU 102 Ca 0.03 -0.34 0.00 0.00 -0.01 0.00 0.00 56.01 55.68 2k6h n LEU 102 Cb 0.06 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 2k6h n LEU 102 CO 0.35 0.16 0.00 0.61 -1.51 0.00 0.00 177.39 177.00 2k6h n GLY 103 N 0.58 1.90 3.77 -0.72 0.00 -0.28 -4.85 105.19 105.59 2k6h n GLY 103 Ca 0.03 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2k6h n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k6h s ASP 104 N -4.00 3.81 -0.29 1.61 2.15 -1.25 -4.61 116.67 114.09 2k6h s ASP 104 Ca 0.00 1.19 -0.29 0.00 0.43 0.00 0.00 52.55 53.88 2k6h s ASP 104 Cb 0.00 -1.85 -0.01 0.00 -0.30 0.00 0.00 42.92 40.75 2k6h s ASP 104 CO 0.00 -2.39 1.52 0.20 -0.17 0.00 0.00 175.17 174.33 2k6h s ASN 105 N -3.84 6.39 0.46 -0.34 -0.87 -1.26 -4.63 114.94 110.84 2k6h s ASN 105 Ca 0.63 1.34 0.00 0.00 -1.57 0.00 0.00 52.86 53.25 2k6h s ASN 105 Cb -0.15 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.54 2k6h s ASN 105 CO 0.55 -1.30 0.00 -0.81 -2.57 0.00 0.00 177.10 172.97 2k6h n PRO 106 N 7.74 0.72 -4.94 -0.60 -0.04 -1.26 -4.97 135.00 131.65 2k6h n PRO 106 Ca 0.18 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.31 2k6h n PRO 106 Cb 0.46 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.77 2k6h n PRO 106 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k6h s ARG 107 N -1.35 3.16 0.40 0.54 0.52 -1.08 -4.85 118.95 116.29 2k6h s ARG 107 Ca 0.00 -0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 54.23 2k6h s ARG 107 Cb 0.00 -2.49 -0.10 0.00 0.52 0.00 0.00 34.95 32.88 2k6h s ARG 107 CO 0.00 0.25 0.97 1.67 0.02 0.00 0.00 175.30 178.21 2k6h s TRP 108 N 0.21 3.40 0.11 -0.53 1.48 -1.26 -0.89 118.94 121.46 2k6h s TRP 108 Ca -0.11 1.67 0.07 0.00 -1.06 0.00 0.00 56.10 56.67 2k6h s TRP 108 Cb -0.16 -2.92 -0.20 0.00 -1.16 0.00 0.00 33.47 29.03 2k6h s TRP 108 CO 0.06 -0.12 1.28 -0.07 -4.06 0.00 0.00 176.95 174.03 2k6h h LEU 109 N 2.35 0.00 0.00 -4.66 3.38 -1.36 -3.46 115.31 111.55 2k6h h LEU 109 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k6h h LEU 109 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2k6h h LEU 109 CO 0.62 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.74 2k6h n GLY 110 N 1.35 0.62 3.73 0.83 0.00 0.02 -5.03 105.19 106.71 2k6h n GLY 110 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2k6h n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k6h s PHE 111 N -2.22 0.30 0.00 1.61 -0.12 -1.16 -4.72 117.98 111.67 2k6h s PHE 111 Ca 0.00 -0.84 0.00 0.00 -0.05 0.00 0.00 56.93 56.04 2k6h s PHE 111 Cb 0.00 0.59 0.00 0.00 -0.63 0.00 0.00 43.02 42.98 2k6h s PHE 111 CO 0.00 -1.41 0.00 0.41 -0.05 0.00 0.00 175.22 174.17 2k6h n GLY 112 N -0.52 1.98 7.00 1.99 0.00 -1.26 -3.41 105.19 110.97 2k6h n GLY 112 Ca -0.05 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.00 2k6h n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6h n GLY 113 N -1.70 2.47 3.55 -0.02 0.00 -1.26 -4.83 105.19 103.41 2k6h n GLY 113 Ca 0.00 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2k6h n GLY 113 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k6h n ARG 114 N 10.93 1.03 0.09 1.61 0.00 -1.26 -4.75 116.66 124.30 2k6h n ARG 114 Ca 0.00 0.37 0.16 0.00 -0.00 0.00 0.00 57.85 58.38 2k6h n ARG 114 Cb 0.00 -1.85 0.67 0.00 -0.00 0.00 0.00 32.46 31.28 2k6h n ARG 114 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.63 177.73 2k6h h TYR 115 N 1.21 0.01 -0.78 2.89 -0.00 -1.92 -0.71 116.97 117.67 2k6h h TYR 115 Ca -0.43 0.00 0.06 0.00 0.00 0.00 0.00 58.73 58.36 2k6h h TYR 115 Cb 1.36 -0.00 -0.05 0.00 0.00 0.00 0.00 36.73 38.04 2k6h h TYR 115 CO 0.41 0.01 0.51 1.96 -0.00 0.00 0.00 178.16 181.04 2k6h h GLN 116 N 0.01 0.84 0.03 0.10 4.20 -1.88 -1.60 115.11 116.81 2k6h h GLN 116 Ca 0.16 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.61 2k6h h GLN 116 Cb 0.64 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2k6h h GLN 116 CO -0.00 0.55 -0.98 0.22 -0.67 0.00 0.00 178.83 177.95 2k6h h ASP 117 N 0.86 0.18 0.12 1.46 3.58 -1.45 -3.08 116.42 118.10 2k6h h ASP 117 Ca 0.33 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2k6h h ASP 117 Cb 0.21 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2k6h h ASP 117 CO -0.11 1.05 -0.06 -0.07 -2.88 0.00 0.00 179.24 177.17 2k6h h LEU 118 N 0.06 -0.13 -0.04 2.28 3.38 -1.20 -3.43 115.31 116.22 2k6h h LEU 118 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2k6h h LEU 118 Cb 1.67 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2k6h h LEU 118 CO 0.14 -0.08 0.00 2.30 0.09 0.00 0.00 178.44 180.89 2k6h n ILE 119 N -2.49 0.00 0.00 1.22 -0.00 -1.11 -5.01 119.36 111.96 2k6h n ILE 119 Ca -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 2k6h n ILE 119 Cb 0.06 1.65 0.00 0.00 -0.00 0.00 0.00 39.64 41.35 2k6h n ILE 119 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k6h n GLY 120 N 0.02 2.40 0.21 3.28 0.00 -1.00 -4.44 105.19 105.66 2k6h n GLY 120 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2k6h n GLY 120 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2k6h h ASN 121 N 0.00 0.59 -2.51 1.61 -0.73 -1.90 -3.42 115.58 109.22 2k6h h ASN 121 Ca 0.00 -0.09 -0.53 0.00 1.87 0.00 0.00 56.30 57.55 2k6h h ASN 121 Cb 0.00 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 38.40 2k6h h ASN 121 CO 0.00 0.51 -0.49 -0.75 -0.37 0.00 0.00 177.43 176.33 2k6h s LYS 122 N -5.87 3.27 0.29 6.67 2.47 -1.26 -5.13 119.74 120.18 2k6h s LYS 122 Ca -0.13 -0.72 -0.01 0.00 -1.56 0.00 0.00 55.97 53.54 2k6h s LYS 122 Cb 0.11 -2.85 0.06 0.00 -1.46 0.00 0.00 37.83 33.70 2k6h s LYS 122 CO 0.75 0.49 0.40 0.41 0.16 0.00 0.00 175.35 177.56 2k6h n GLY 123 N -0.67 0.29 0.00 5.54 0.00 -1.26 -4.60 105.19 104.48 2k6h n GLY 123 Ca -0.08 -1.92 0.03 0.00 0.00 0.00 0.00 46.02 44.06 2k6h n GLY 123 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k6h n LEU 124 N 0.00 0.00 0.07 0.99 -0.00 -1.26 -3.93 117.00 112.87 2k6h n LEU 124 Ca 0.06 0.25 0.21 0.00 -0.00 0.00 0.00 56.01 56.52 2k6h n LEU 124 Cb 0.22 -0.25 0.66 0.00 -0.00 0.00 0.00 43.42 44.05 2k6h n LEU 124 CO 0.15 -0.19 1.18 1.05 -0.00 0.00 0.00 177.39 179.58 2k6h h GLU 125 N 0.00 0.00 0.00 1.47 4.11 -1.89 -1.77 114.58 116.50 2k6h h GLU 125 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k6h h GLU 125 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k6h h GLU 125 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.33 2k6h n THR 126 N -3.44 0.72 -2.44 -1.06 -2.24 -1.25 -4.74 114.28 99.82 2k6h n THR 126 Ca 0.09 0.09 -0.40 0.00 -2.27 0.00 0.00 64.05 61.56 2k6h n THR 126 Cb 0.80 -0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 2k6h n THR 126 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2k6h s VAL 127 N -3.17 3.66 0.46 2.28 -7.23 -0.67 -4.99 120.40 110.74 2k6h s VAL 127 Ca 0.07 0.28 -0.25 0.00 -1.81 0.00 0.00 61.98 60.28 2k6h s VAL 127 Cb 0.11 -4.73 -0.08 0.00 0.56 0.00 0.00 36.38 32.25 2k6h s VAL 127 CO 0.43 -1.67 1.41 -0.89 -0.31 0.00 0.00 175.10 174.07 2k6h s THR 128 N 6.40 2.10 -0.15 5.32 2.01 -1.26 -4.40 115.64 125.66 2k6h s THR 128 Ca 0.42 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.46 2k6h s THR 128 Cb -0.08 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 2k6h s THR 128 CO 0.14 0.01 0.03 -0.04 -0.69 0.00 0.00 174.62 174.07 2k6h s MET 129 N -2.51 3.63 0.00 4.92 -1.94 0.38 -4.96 119.30 118.82 2k6h s MET 129 Ca 0.62 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.22 2k6h s MET 129 Cb -0.43 -3.04 0.00 0.00 2.01 0.00 0.00 34.83 33.37 2k6h s MET 129 CO 0.55 0.41 0.00 0.41 -0.01 0.00 0.00 175.02 176.38 2k6h n GLY 130 N 3.07 1.68 0.31 -0.03 0.00 -1.26 -1.63 105.19 107.33 2k6h n GLY 130 Ca -0.17 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 44.94 2k6h n GLY 130 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k6h h ARG 131 N 0.00 1.08 -0.88 1.61 0.11 -1.83 -2.11 114.38 112.36 2k6h h ARG 131 Ca 0.00 -0.17 -0.01 0.00 0.10 0.00 0.00 59.98 59.90 2k6h h ARG 131 Cb 0.00 -0.19 -0.04 0.00 1.11 0.00 0.00 29.97 30.85 2k6h h ARG 131 CO 0.00 0.86 0.51 0.00 0.10 0.00 0.00 179.97 181.44 2k6h h ALA 132 N 1.17 1.25 -0.36 0.08 0.00 -1.90 -1.11 119.26 118.38 2k6h h ALA 132 Ca 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2k6h h ALA 132 Cb 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2k6h h ALA 132 CO -0.03 0.63 0.13 0.93 0.00 0.00 0.00 179.25 180.92 2k6h h GLU 133 N 1.22 0.55 -0.04 0.00 4.39 -1.83 -2.65 114.58 116.22 2k6h h GLU 133 Ca 0.31 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 2k6h h GLU 133 Cb -0.02 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2k6h h GLU 133 CO -0.06 0.55 0.02 0.52 -1.16 0.00 0.00 179.01 178.89 2k6h h MET 134 N 0.43 0.05 -0.67 2.33 2.86 -0.72 -0.07 114.93 119.14 2k6h h MET 134 Ca 0.12 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2k6h h MET 134 Cb 0.21 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2k6h h MET 134 CO -0.01 0.09 0.41 1.15 1.06 0.00 0.00 176.91 179.61 2k6h h THR 135 N 0.00 1.07 -0.02 2.22 2.02 -1.16 0.83 112.91 117.87 2k6h h THR 135 Ca 0.01 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2k6h h THR 135 Cb 0.05 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2k6h h THR 135 CO -0.00 0.15 0.01 0.03 0.37 0.00 0.00 175.52 176.07 2k6h h ARG 136 N 0.80 0.03 -0.50 6.66 3.08 -1.40 -2.74 114.38 120.30 2k6h h ARG 136 Ca 0.27 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.36 2k6h h ARG 136 Cb 0.05 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2k6h h ARG 136 CO -0.12 0.17 0.26 0.00 -1.07 0.00 0.00 179.97 179.21 2k6h h ALA 137 N 0.86 0.64 -0.43 0.04 0.00 -0.00 0.79 119.26 121.16 2k6h h ALA 137 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k6h h ALA 137 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2k6h h ALA 137 CO -0.00 -0.08 0.26 0.28 0.00 0.00 0.00 179.25 179.71 2k6h h VAL 138 N 0.51 1.13 -0.79 0.00 2.07 -0.90 -0.50 116.25 117.77 2k6h h VAL 138 Ca 0.22 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2k6h h VAL 138 Cb 0.11 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 2k6h h VAL 138 CO -0.14 0.13 0.49 0.78 0.02 0.00 0.00 177.57 178.85 2k6h h ASN 139 N 0.57 0.93 -0.39 0.57 2.35 -1.08 -0.51 115.58 118.02 2k6h h ASN 139 Ca 0.15 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.71 2k6h h ASN 139 Cb -0.01 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2k6h h ASN 139 CO -0.03 0.71 -0.32 -0.78 -1.65 0.00 0.00 177.43 175.35 2k6h h ASP 140 N 1.08 0.98 0.63 5.81 3.58 -0.34 -3.15 116.42 125.00 2k6h h ASP 140 Ca 0.29 -0.42 -0.26 0.00 0.42 0.00 0.00 57.03 57.06 2k6h h ASP 140 Cb -0.07 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 40.71 2k6h h ASP 140 CO -0.06 1.21 -1.15 -0.07 -2.88 0.00 0.00 179.24 176.29 2k6h h LEU 141 N 0.78 0.38 -1.74 2.28 3.38 -1.00 -3.35 115.31 116.04 2k6h h LEU 141 Ca 0.08 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2k6h h LEU 141 Cb 0.91 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2k6h h LEU 141 CO 0.08 1.27 0.20 0.00 0.09 0.00 0.00 178.44 180.09 2k6h h ALA 142 N 0.68 1.85 0.00 1.53 0.00 -1.05 -1.24 119.26 121.04 2k6h h ALA 142 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k6h h ALA 142 Cb 1.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2k6h h ALA 142 CO 0.19 0.12 0.00 0.36 0.00 0.00 0.00 179.25 179.91 2k6h n LYS 143 N -4.49 0.62 -1.95 0.00 2.85 -1.22 -4.41 118.16 109.56 2k6h n LYS 143 Ca 0.02 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.89 2k6h n LYS 143 Cb 0.11 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.97 2k6h n LYS 143 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2k6h n LYS 144 N -1.18 2.42 0.00 -1.58 5.02 -0.47 -4.39 118.16 117.98 2k6h n LYS 144 Ca 0.17 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.83 2k6h n LYS 144 Cb 0.19 -3.37 0.00 0.00 -0.02 0.00 0.00 35.03 31.83 2k6h n LYS 144 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k6h n LYS 145 N 7.46 0.00 0.24 1.97 4.01 -1.26 -4.80 118.16 125.78 2k6h n LYS 145 Ca 0.49 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.42 2k6h n LYS 145 Cb 0.43 -0.03 0.47 0.00 -0.51 0.00 0.00 35.03 35.39 2k6h n LYS 145 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2k6h h LYS 146 N 0.00 0.00 -5.85 1.97 2.10 -2.01 -3.39 116.57 109.39 2k6h h LYS 146 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 58.24 2k6h h LYS 146 Cb 0.00 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.26 2k6h h LYS 146 CO 0.00 0.10 1.06 -1.64 -2.00 0.00 0.00 179.45 176.97 2k6h s MET 147 N -3.53 2.96 0.00 0.07 -1.94 -1.26 -4.64 119.30 110.96 2k6h s MET 147 Ca 0.02 -0.67 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 2k6h s MET 147 Cb 0.08 -5.19 0.00 0.00 2.01 0.00 0.00 34.83 31.74 2k6h s MET 147 CO 0.61 -2.96 0.95 1.47 -0.01 0.00 0.00 175.02 175.08 2k6h n LEU 148 N 12.03 1.83 -4.64 -0.03 -0.00 -1.26 -4.52 117.00 120.41 2k6h n LEU 148 Ca 0.38 -1.83 -0.42 0.00 -0.00 0.00 0.00 56.01 54.13 2k6h n LEU 148 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.87 2k6h n LEU 148 CO 0.63 0.46 1.58 -1.61 -0.00 0.00 0.00 177.39 178.45 2k6h s GLU 149 N -0.90 3.85 0.66 1.47 0.41 -1.26 -4.89 118.70 118.05 2k6h s GLU 149 Ca 0.00 2.24 0.43 0.00 -0.41 0.00 0.00 54.97 57.23 2k6h s GLU 149 Cb 0.00 -4.16 2.35 0.00 -1.78 0.00 0.00 34.13 30.54 2k6h s GLU 149 CO 0.00 -1.26 2.34 -1.35 -0.49 0.00 0.00 175.26 174.50 2k6h h PRO 150 N 11.47 0.00 0.00 0.39 0.11 -2.00 -1.99 132.00 139.98 2k6h h PRO 150 Ca -0.43 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 2k6h h PRO 150 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2k6h h PRO 150 CO 0.96 0.00 -0.23 1.96 -0.21 0.00 0.00 178.00 180.48 2k6h h GLN 151 N 0.00 0.00 -6.94 1.05 4.20 -2.01 -3.44 115.11 107.98 2k6h h GLN 151 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 2k6h h GLN 151 Cb 0.04 0.00 0.05 0.00 0.30 0.00 0.00 27.48 27.87 2k6h h GLN 151 CO -0.00 0.23 0.51 0.00 -0.67 0.00 0.00 178.83 178.90 2k6h s ALA 152 N -4.16 3.16 -2.00 3.87 0.00 -0.75 -4.92 121.76 116.96 2k6h s ALA 152 Ca -0.02 0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.93 2k6h s ALA 152 Cb 0.13 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 19.99 2k6h s ALA 152 CO 0.65 -0.54 0.75 -0.40 0.00 0.00 0.00 175.76 176.23 2k6h n ASP 153 N 0.09 0.00 0.05 0.00 5.75 -1.26 -3.82 116.55 117.36 2k6h n ASP 153 Ca 0.04 -1.25 0.21 0.00 -0.01 0.00 0.00 54.79 53.78 2k6h n ASP 153 Cb 0.46 0.00 0.74 0.00 -1.03 0.00 0.00 41.12 41.29 2k6h n ASP 153 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2k6h h THR 154 N 0.00 0.47 -0.68 2.12 1.35 -1.91 -0.63 112.91 113.63 2k6h h THR 154 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.00 2k6h h THR 154 Cb 0.00 0.66 -0.12 0.00 -1.73 0.00 0.00 68.15 66.96 2k6h h THR 154 CO 0.00 0.00 -0.05 0.11 -0.25 0.00 0.00 175.52 175.33 2k6h h LYS 155 N 0.00 0.07 0.15 4.72 1.79 -1.91 -0.63 116.57 120.76 2k6h h LYS 155 Ca 0.23 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 2k6h h LYS 155 Cb 1.11 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2k6h h LYS 155 CO -0.00 0.05 -0.07 1.03 -1.08 0.00 0.00 179.45 179.37 2k6h h SER 156 N 0.07 -0.17 -0.32 0.86 0.87 -1.44 -3.01 113.55 110.40 2k6h h SER 156 Ca 0.35 -0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.89 2k6h h SER 156 Cb 0.58 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.54 2k6h h SER 156 CO -0.62 -0.04 0.04 0.11 -0.53 0.00 0.00 176.83 175.78 2k6h h LYS 157 N -0.30 0.14 -0.46 2.24 6.56 -1.28 0.11 116.57 123.58 2k6h h LYS 157 Ca -0.02 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.52 2k6h h LYS 157 Cb 0.23 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.84 2k6h h LYS 157 CO 0.03 0.09 0.13 1.37 -2.06 0.00 0.00 179.45 179.02 2k6h h LEU 158 N 0.14 0.68 -0.58 2.94 8.10 -1.19 -1.12 115.31 124.29 2k6h h LEU 158 Ca 0.15 -0.22 -0.14 0.00 0.11 0.00 0.00 57.88 57.78 2k6h h LEU 158 Cb 0.18 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2k6h h LEU 158 CO -0.22 0.72 -0.38 -0.37 -4.11 0.00 0.00 178.44 174.09 2k6h h VAL 159 N 0.61 1.29 -0.52 0.15 -1.51 -1.34 -2.83 116.25 112.10 2k6h h VAL 159 Ca 0.15 -1.54 0.07 0.00 -1.23 0.00 0.00 66.70 64.15 2k6h h VAL 159 Cb 0.29 1.45 -0.06 0.00 -2.13 0.00 0.00 31.29 30.84 2k6h h VAL 159 CO -0.00 0.50 0.20 0.50 -1.23 0.00 0.00 177.57 177.53 2k6h h LYS 160 N 0.60 0.37 0.56 5.19 3.64 -0.45 -0.46 116.57 126.02 2k6h h LYS 160 Ca 0.05 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2k6h h LYS 160 Cb 0.91 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2k6h h LYS 160 CO 0.08 0.25 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.17 2k6h h LEU 161 N 0.38 -0.64 -1.13 5.20 3.38 -1.13 -1.02 115.31 120.36 2k6h h LEU 161 Ca 0.25 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2k6h h LEU 161 Cb 0.26 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2k6h h LEU 161 CO -0.24 -0.38 0.26 1.62 0.09 0.00 0.00 178.44 179.78 2k6h h VAL 162 N -0.87 1.21 -0.57 1.22 3.04 -1.23 0.15 116.25 119.21 2k6h h VAL 162 Ca -0.08 -0.64 -0.02 0.00 -1.01 0.00 0.00 66.70 64.95 2k6h h VAL 162 Cb 0.62 0.47 -0.03 0.00 -2.01 0.00 0.00 31.29 30.35 2k6h h VAL 162 CO 0.13 0.26 0.27 0.58 -1.01 0.00 0.00 177.57 177.79 2k6h h VAL 163 N 0.86 1.21 0.00 1.51 2.07 -1.09 0.16 116.25 120.97 2k6h h VAL 163 Ca 0.21 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 2k6h h VAL 163 Cb 0.14 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2k6h h VAL 163 CO -0.02 0.24 -0.28 -0.03 0.02 0.00 0.00 177.57 177.50 2k6h h MET 164 N 0.78 0.00 0.00 1.57 -1.53 0.04 -3.33 114.93 112.46 2k6h h MET 164 Ca 0.20 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.46 2k6h h MET 164 Cb 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.19 2k6h h MET 164 CO -0.02 0.28 0.00 0.28 0.14 0.00 0.00 176.91 177.58 2k6h n VAL 165 N -3.48 0.00 0.18 -5.77 0.31 -0.08 -4.59 118.33 104.90 2k6h n VAL 165 Ca -0.00 0.01 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2k6h n VAL 165 Cb 0.45 -0.65 0.30 0.00 -0.91 0.00 0.00 33.84 33.03 2k6h n VAL 165 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k6h h GLU 167 N 0.00 0.13 -0.96 0.00 3.07 -1.40 -2.68 114.58 112.74 2k6h h GLU 167 Ca -0.00 -0.02 0.19 0.00 -0.50 0.00 0.00 59.36 59.03 2k6h h GLU 167 Cb 0.94 -0.02 -0.11 0.00 -0.84 0.00 0.00 28.75 28.71 2k6h h GLU 167 CO 0.05 0.19 0.55 0.78 -1.40 0.00 0.00 179.01 179.18 2k6h h GLY 168 N 0.04 1.70 0.58 -3.84 0.00 -1.35 0.18 103.07 100.38 2k6h h GLY 168 Ca 0.03 -0.31 0.16 0.00 0.00 0.00 0.00 47.33 47.21 2k6h h GLY 168 CO -0.00 -0.11 0.53 -2.00 0.00 0.00 0.00 176.54 174.96 2k6h h LEU 169 N 0.66 0.43 -0.23 3.11 5.85 -0.84 -2.70 115.31 121.60 2k6h h LEU 169 Ca 0.56 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.31 2k6h h LEU 169 Cb 0.92 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2k6h h LEU 169 CO -0.41 0.21 -0.32 -2.11 -0.34 0.00 0.00 178.44 175.47 2k6h n ARG 170 N -4.50 3.61 -4.00 1.25 1.85 -0.59 -4.81 116.66 109.48 2k6h n ARG 170 Ca 0.16 -0.18 -0.31 0.00 -1.00 0.00 0.00 57.85 56.52 2k6h n ARG 170 Cb 0.56 -0.94 -0.15 0.00 -1.05 0.00 0.00 32.46 30.88 2k6h n ARG 170 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2k6h s PHE 171 N -1.61 3.57 0.30 2.89 0.08 0.54 -0.48 117.98 123.26 2k6h s PHE 171 Ca 0.04 -3.07 0.05 0.00 0.12 0.00 0.00 56.93 54.07 2k6h s PHE 171 Cb 0.06 -2.89 0.76 0.00 -0.57 0.00 0.00 43.02 40.38 2k6h s PHE 171 CO 0.30 -0.88 1.69 -0.91 -0.10 0.00 0.00 175.22 175.33 2k6h h ASN 172 N 7.23 0.34 0.10 1.36 2.35 -1.14 -1.03 115.58 124.78 2k6h h ASN 172 Ca -0.05 0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2k6h h ASN 172 Cb 0.98 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 2k6h h ASN 172 CO 0.58 -0.02 -0.14 0.00 -1.65 0.00 0.00 177.43 176.20 2k6h h THR 173 N 0.39 0.00 -0.22 2.81 1.03 -1.56 -0.14 112.91 115.22 2k6h h THR 173 Ca 0.58 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.91 2k6h h THR 173 Cb 1.12 0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.18 2k6h h THR 173 CO -0.54 0.00 -0.16 1.62 -0.01 0.00 0.00 175.52 176.43 2k6h h VAL 174 N -0.25 1.22 0.01 0.00 3.04 -1.81 -1.36 116.25 117.11 2k6h h VAL 174 Ca -0.01 -1.00 0.03 0.00 -1.01 0.00 0.00 66.70 64.71 2k6h h VAL 174 Cb 0.23 1.24 -0.05 0.00 -2.01 0.00 0.00 31.29 30.69 2k6h h VAL 174 CO -0.04 0.32 -0.32 -1.28 -1.01 0.00 0.00 177.57 175.23 2k6h h SER 175 N 0.35 -0.96 0.15 3.17 0.87 -1.03 0.16 113.55 116.25 2k6h h SER 175 Ca 0.06 0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 2k6h h SER 175 Cb 0.49 0.39 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2k6h h SER 175 CO 0.03 -0.39 -0.46 0.03 -0.53 0.00 0.00 176.83 175.51 2k6h h ARG 176 N -0.48 0.37 0.09 2.24 3.08 -0.42 0.18 114.38 119.44 2k6h h ARG 176 Ca 0.06 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 2k6h h ARG 176 Cb 0.56 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 2k6h h ARG 176 CO -0.26 0.76 -0.07 1.15 -1.07 0.00 0.00 179.97 180.48 2k6h h THR 177 N 0.30 0.85 -0.52 2.04 2.02 -0.99 -1.75 112.91 114.86 2k6h h THR 177 Ca 0.02 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 2k6h h THR 177 Cb 0.93 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2k6h h THR 177 CO 0.08 0.00 0.05 0.58 0.37 0.00 0.00 175.52 176.60 2k6h h VAL 178 N -0.16 1.24 -0.20 3.16 2.07 -0.65 -1.45 116.25 120.27 2k6h h VAL 178 Ca -0.00 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.59 2k6h h VAL 178 Cb 0.14 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2k6h h VAL 178 CO -0.00 0.35 -0.01 -0.78 0.02 0.00 0.00 177.57 177.14 2k6h h ASP 179 N 0.80 -0.10 0.21 0.57 3.58 -0.36 0.23 116.42 121.35 2k6h h ASP 179 Ca 0.16 0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.57 2k6h h ASP 179 Cb 0.41 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2k6h h ASP 179 CO 0.01 -0.02 -0.34 0.00 -2.88 0.00 0.00 179.24 176.02 2k6h h ALA 180 N 1.17 1.26 0.00 -0.78 0.00 -1.23 -3.30 119.26 116.38 2k6h h ALA 180 Ca 0.09 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2k6h h ALA 180 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2k6h h ALA 180 CO -0.16 0.51 -0.81 0.78 0.00 0.00 0.00 179.25 179.57 2k6h h GLY 181 N 1.09 0.00 0.88 0.00 0.00 -0.11 -3.40 103.07 101.54 2k6h h GLY 181 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.38 2k6h h GLY 181 CO 0.05 0.00 0.53 -2.75 0.00 0.00 0.00 176.54 174.37 2k6h h PHE 182 N 0.00 0.99 0.00 5.60 3.57 -0.68 -0.93 116.94 125.49 2k6h h PHE 182 Ca -0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k6h h PHE 182 Cb 1.20 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 2k6h h PHE 182 CO 0.00 0.57 -0.05 -2.95 -2.23 0.00 0.00 178.31 173.65 2k6h h ASN 183 N 1.03 0.00 -3.19 0.41 7.08 -1.81 -3.23 115.58 115.88 2k6h h ASN 183 Ca 0.33 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 53.02 2k6h h ASN 183 Cb 0.01 0.00 0.04 0.00 -2.08 0.00 0.00 38.32 36.29 2k6h h ASN 183 CO -0.11 0.05 0.75 -0.55 -2.08 0.00 0.00 177.43 175.48 2k6h s SER 184 N -5.76 6.74 0.38 6.14 0.15 -0.35 -4.91 113.70 116.08 2k6h s SER 184 Ca 0.00 2.51 0.13 0.00 0.70 0.00 0.00 55.95 59.29 2k6h s SER 184 Cb 0.10 -2.61 0.76 0.00 -1.71 0.00 0.00 66.02 62.57 2k6h s SER 184 CO 0.55 -0.67 1.85 0.06 1.20 0.00 0.00 173.24 176.23 2k6h h GLN 185 N 5.87 0.01 0.00 5.44 3.07 -1.86 -3.07 115.11 124.56 2k6h h GLN 185 Ca -0.44 -0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.09 2k6h h GLN 185 Cb 1.21 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.74 2k6h h GLN 185 CO 0.82 0.34 -0.98 1.25 0.09 0.00 0.00 178.83 180.35 2k6h h HIS 186 N 0.01 0.02 -0.71 0.06 2.76 -1.92 -3.49 115.15 111.87 2k6h h HIS 186 Ca -0.00 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.20 2k6h h HIS 186 Cb 0.60 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2k6h h HIS 186 CO 0.00 0.99 -0.06 0.41 -1.30 0.00 0.00 177.93 177.96 2k6h n GLY 187 N 1.29 -1.94 3.31 5.26 0.00 -1.16 -4.96 105.19 106.97 2k6h n GLY 187 Ca -0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 46.02 44.49 2k6h n GLY 187 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k6h s VAL 188 N -0.58 1.42 -0.24 1.61 -7.23 -0.65 -4.95 120.40 109.79 2k6h s VAL 188 Ca 0.00 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 58.03 2k6h s VAL 188 Cb 0.00 -2.01 0.07 0.00 0.56 0.00 0.00 36.38 35.01 2k6h s VAL 188 CO 0.00 -0.62 0.04 0.42 -0.31 0.00 0.00 175.10 174.63 2k6h s THR 189 N -3.17 0.77 0.43 5.32 -4.23 -1.26 -0.47 115.64 113.02 2k6h s THR 189 Ca 0.21 -0.91 -0.25 0.00 -1.18 0.00 0.00 61.69 59.56 2k6h s THR 189 Cb 0.02 -1.34 -0.08 0.00 1.34 0.00 0.00 72.50 72.44 2k6h s THR 189 CO 0.04 -0.34 1.24 -1.48 -0.54 0.00 0.00 174.62 173.54 2k6h s LEU 190 N 1.72 4.14 0.82 4.79 2.34 -1.26 -5.05 118.68 126.18 2k6h s LEU 190 Ca 0.02 2.50 -0.09 0.00 0.06 0.00 0.00 54.13 56.61 2k6h s LEU 190 Cb -0.17 -4.03 0.13 0.00 -0.56 0.00 0.00 46.19 41.55 2k6h s LEU 190 CO -0.13 -0.87 1.14 0.28 -1.06 0.00 0.00 176.35 175.71 2k6h s THR 191 N -1.36 2.11 0.14 5.48 -1.32 -1.26 -4.76 115.64 114.67 2k6h s THR 191 Ca 0.59 -0.21 -0.20 0.00 -1.21 0.00 0.00 61.69 60.66 2k6h s THR 191 Cb -0.34 -2.90 0.01 0.00 -1.51 0.00 0.00 72.50 67.76 2k6h s THR 191 CO 0.43 0.00 1.67 0.58 -2.21 0.00 0.00 174.62 175.09 2k6h h VAL 192 N -1.03 0.64 -0.50 5.08 2.07 -1.97 -1.23 116.25 119.32 2k6h h VAL 192 Ca -0.43 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.14 2k6h h VAL 192 Cb 1.28 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2k6h h VAL 192 CO 0.48 0.00 0.24 0.74 0.02 0.00 0.00 177.57 179.05 2k6h h THR 193 N -0.10 0.93 0.24 2.57 2.02 -1.96 0.68 112.91 117.30 2k6h h THR 193 Ca 0.12 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2k6h h THR 193 Cb 0.28 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2k6h h THR 193 CO -0.28 0.08 -0.12 1.56 0.37 0.00 0.00 175.52 177.14 2k6h h GLN 194 N 0.46 -0.31 -0.32 6.66 4.20 -1.86 -2.39 115.11 121.55 2k6h h GLN 194 Ca 0.22 0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.03 2k6h h GLN 194 Cb 0.16 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.93 2k6h h GLN 194 CO -0.17 -0.16 -0.26 0.78 -0.67 0.00 0.00 178.83 178.35 2k6h h GLY 195 N -0.39 -0.14 0.97 3.46 0.00 -0.37 -1.61 103.07 105.01 2k6h h GLY 195 Ca -0.03 0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 2k6h h GLY 195 CO 0.05 -0.20 0.12 0.50 0.00 0.00 0.00 176.54 177.01 2k6h h LYS 196 N -0.23 0.79 -0.77 4.80 1.57 -0.86 -0.73 116.57 121.15 2k6h h LYS 196 Ca 0.16 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2k6h h LYS 196 Cb 0.48 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2k6h h LYS 196 CO -0.45 0.76 0.28 -0.56 -0.57 0.00 0.00 179.45 178.91 2k6h h GLN 197 N 0.67 1.17 -0.06 3.15 3.07 -1.09 -1.04 115.11 120.98 2k6h h GLN 197 Ca 0.15 -0.23 -0.13 0.00 0.09 0.00 0.00 58.65 58.54 2k6h h GLN 197 Cb 0.33 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.69 2k6h h GLN 197 CO 0.00 0.96 -0.56 -0.39 0.09 0.00 0.00 178.83 178.94 2k6h h VAL 198 N 1.13 1.38 -0.07 1.86 -1.51 -1.00 -2.78 116.25 115.27 2k6h h VAL 198 Ca 0.25 -1.88 -0.11 0.00 -1.23 0.00 0.00 66.70 63.73 2k6h h VAL 198 Cb 0.25 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 2k6h h VAL 198 CO -0.02 0.55 -0.45 -0.61 -1.23 0.00 0.00 177.57 175.82 2k6h h GLN 199 N 0.14 0.16 -2.15 5.19 4.15 -0.81 -3.33 115.11 118.45 2k6h h GLN 199 Ca -0.00 -0.08 -0.67 0.00 0.77 0.00 0.00 58.65 58.67 2k6h h GLN 199 Cb 1.03 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 28.35 2k6h h GLN 199 CO 0.08 0.58 -0.03 1.63 -1.93 0.00 0.00 178.83 179.16 2k6h n LYS 200 N -3.99 3.87 0.16 1.69 4.76 -0.42 -4.81 118.16 119.41 2k6h n LYS 200 Ca -0.02 -4.65 0.17 0.00 -2.87 0.00 0.00 58.31 50.94 2k6h n LYS 200 Cb 0.50 -2.31 0.76 0.00 -1.84 0.00 0.00 35.03 32.14 2k6h n LYS 200 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 2k6h h TRP 201 N 3.28 0.00 -0.94 2.13 7.01 -1.67 -2.12 115.95 123.63 2k6h h TRP 201 Ca 0.31 0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.41 2k6h h TRP 201 Cb 0.47 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 27.46 2k6h h TRP 201 CO 1.01 0.00 0.60 -0.44 -2.79 0.00 0.00 178.44 176.82 2k6h h ASP 202 N 0.00 0.86 -0.07 2.65 3.32 -1.91 0.08 116.42 121.35 2k6h h ASP 202 Ca 0.12 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 2k6h h ASP 202 Cb 0.55 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2k6h h ASP 202 CO -0.00 0.49 -0.42 0.03 -1.72 0.00 0.00 179.24 177.62 2k6h h ARG 203 N 0.94 0.60 -0.36 3.56 3.08 -1.77 -0.72 114.38 119.72 2k6h h ARG 203 Ca 0.44 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 2k6h h ARG 203 Cb 0.43 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2k6h h ARG 203 CO -0.20 0.91 -0.05 0.82 -1.07 0.00 0.00 179.97 180.38 2k6h h ILE 204 N 0.49 1.27 -0.15 2.04 5.03 -1.36 -1.40 117.51 123.43 2k6h h ILE 204 Ca 0.04 -1.09 0.02 0.00 -0.12 0.00 0.00 64.86 63.72 2k6h h ILE 204 Cb 0.93 1.26 -0.02 0.00 -3.03 0.00 0.00 36.82 35.96 2k6h h ILE 204 CO 0.08 0.36 -0.00 0.28 -0.68 0.00 0.00 178.15 178.19 2k6h h SER 205 N 0.46 -0.06 -0.32 1.72 0.02 -0.64 0.23 113.55 114.96 2k6h h SER 205 Ca 0.09 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 2k6h h SER 205 Cb 0.54 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2k6h h SER 205 CO 0.03 -0.01 -0.13 0.07 -1.14 0.00 0.00 176.83 175.65 2k6h h LYS 206 N 0.05 0.76 -0.58 3.45 2.10 -1.14 -2.65 116.57 118.57 2k6h h LYS 206 Ca 0.07 -0.26 -0.01 0.00 -2.00 0.00 0.00 60.65 58.44 2k6h h LYS 206 Cb 0.08 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.33 2k6h h LYS 206 CO -0.12 0.86 0.30 0.00 -2.00 0.00 0.00 179.45 178.49 2k6h h ALA 207 N 1.17 0.74 -0.43 0.07 0.00 -0.76 -0.86 119.26 119.19 2k6h h ALA 207 Ca 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2k6h h ALA 207 Cb 0.61 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2k6h h ALA 207 CO 0.04 0.27 0.27 0.00 0.00 0.00 0.00 179.25 179.83 2k6h h ALA 208 N 1.13 0.54 -0.35 0.00 0.00 -0.83 0.26 119.26 120.01 2k6h h ALA 208 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2k6h h ALA 208 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2k6h h ALA 208 CO -0.03 -0.04 0.21 0.35 0.00 0.00 0.00 179.25 179.74 2k6h h PHE 209 N 0.55 0.47 -0.46 0.00 3.04 -1.22 -0.46 116.94 118.85 2k6h h PHE 209 Ca 0.16 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 2k6h h PHE 209 Cb -0.03 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.31 2k6h h PHE 209 CO -0.06 0.35 0.25 1.49 -2.02 0.00 0.00 178.31 178.32 2k6h h GLU 210 N 0.45 0.65 -0.31 1.11 4.81 -0.76 -2.12 114.58 118.41 2k6h h GLU 210 Ca 0.13 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2k6h h GLU 210 Cb 0.03 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2k6h h GLU 210 CO -0.02 0.52 -0.05 -1.49 -0.73 0.00 0.00 179.01 177.24 2k6h h TRP 211 N 0.61 0.52 -0.49 0.92 6.55 -0.86 -1.39 115.95 121.81 2k6h h TRP 211 Ca 0.16 -0.06 -0.03 0.00 0.95 0.00 0.00 58.89 59.91 2k6h h TRP 211 Cb 0.07 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.20 2k6h h TRP 211 CO -0.02 0.55 0.20 0.00 -1.05 0.00 0.00 178.44 178.13 2k6h h ALA 212 N 1.48 1.43 0.13 1.49 0.00 -0.43 -3.06 119.26 120.29 2k6h h ALA 212 Ca 0.10 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 2k6h h ALA 212 Cb 0.39 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k6h h ALA 212 CO 0.02 0.44 -1.50 0.22 0.00 0.00 0.00 179.25 178.42 2k6h h ASP 213 N 0.70 0.42 -3.51 0.00 3.58 -1.15 -3.44 116.42 113.02 2k6h h ASP 213 Ca 0.17 -0.56 -0.62 0.00 0.42 0.00 0.00 57.03 56.45 2k6h h ASP 213 Cb 0.13 -0.14 -0.39 0.00 1.72 0.00 0.00 39.33 40.65 2k6h h ASP 213 CO -0.02 1.46 -0.75 -1.00 -2.88 0.00 0.00 179.24 176.05 2k6h s HIS 214 N -2.62 2.65 -0.80 0.28 3.76 -0.55 -5.03 115.29 112.98 2k6h s HIS 214 Ca -0.09 -2.17 0.21 0.00 -0.15 0.00 0.00 55.06 52.87 2k6h s HIS 214 Cb 0.07 -2.07 0.85 0.00 1.11 0.00 0.00 32.58 32.54 2k6h s HIS 214 CO 0.86 -0.86 1.65 -0.35 -0.85 0.00 0.00 174.74 175.19 2k6h n PRO 215 N 4.58 0.10 -0.04 8.40 -0.04 -1.22 -3.07 135.00 143.71 2k6h n PRO 215 Ca -0.04 0.27 0.02 0.00 -0.04 0.00 0.00 63.50 63.71 2k6h n PRO 215 Cb 0.43 -1.66 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 2k6h n PRO 215 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2k6h n THR 216 N -1.84 0.87 -1.92 0.52 5.66 -1.26 -4.96 114.28 111.35 2k6h n THR 216 Ca 0.04 -0.93 -0.42 0.00 -3.05 0.00 0.00 64.05 59.68 2k6h n THR 216 Cb 0.25 0.48 -0.03 0.00 -1.55 0.00 0.00 70.33 69.48 2k6h n THR 216 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k6h s ALA 217 N -1.04 3.64 -0.65 1.79 0.00 -1.17 -4.96 121.76 119.37 2k6h s ALA 217 Ca 0.05 1.12 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 2k6h s ALA 217 Cb 0.05 -3.74 0.04 0.00 0.00 0.00 0.00 23.12 19.47 2k6h s ALA 217 CO 0.01 -1.30 1.10 0.08 0.00 0.00 0.00 175.76 175.64 2k6h s VAL 218 N 3.51 4.10 -0.45 0.00 1.01 -1.26 -4.95 120.40 122.36 2k6h s VAL 218 Ca 0.76 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.68 2k6h s VAL 218 Cb -0.38 -4.74 0.03 0.00 0.00 0.00 0.00 36.38 31.29 2k6h s VAL 218 CO 0.33 -1.50 1.06 -0.63 0.00 0.00 0.00 175.10 174.36 2k6h s ILE 219 N 4.72 4.34 0.36 2.22 1.01 -1.26 -4.92 121.20 127.66 2k6h s ILE 219 Ca 0.31 1.16 0.07 0.00 0.00 0.00 0.00 60.65 62.19 2k6h s ILE 219 Cb -0.12 -4.52 0.14 0.00 0.01 0.00 0.00 42.46 37.98 2k6h s ILE 219 CO 0.16 -0.86 1.87 1.55 0.00 0.00 0.00 174.94 177.66 2k6h h PRO 220 N 8.99 0.34 -0.95 2.79 0.13 -1.98 -1.66 132.00 139.65 2k6h h PRO 220 Ca -0.23 -0.08 0.14 0.00 -0.87 0.00 0.00 66.00 64.96 2k6h h PRO 220 Cb 1.07 -0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.06 2k6h h PRO 220 CO 1.08 0.47 0.57 -0.44 -0.23 0.00 0.00 178.00 179.45 2k6h h ASP 221 N 0.32 0.79 0.24 1.44 5.19 -1.98 -1.33 116.42 121.07 2k6h h ASP 221 Ca 0.06 0.07 -0.34 0.00 -0.62 0.00 0.00 57.03 56.21 2k6h h ASP 221 Cb 0.42 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.79 2k6h h ASP 221 CO 0.02 0.37 -2.04 0.80 -3.12 0.00 0.00 179.24 175.28 2k6h n MET 222 N -4.72 0.67 0.17 3.56 1.56 -1.02 -3.69 117.12 113.65 2k6h n MET 222 Ca 0.19 0.18 0.13 0.00 -0.27 0.00 0.00 57.70 57.93 2k6h n MET 222 Cb 0.42 -1.67 0.68 0.00 2.15 0.00 0.00 33.22 34.80 2k6h n MET 222 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 2k6h h GLN 223 N 0.01 0.00 -0.85 2.12 1.08 -1.04 -0.77 115.11 115.65 2k6h h GLN 223 Ca -0.42 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.75 2k6h h GLN 223 Cb 2.08 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.47 2k6h h GLN 223 CO 0.05 0.00 0.41 -0.22 -0.95 0.00 0.00 178.83 178.12 2k6h h LYS 224 N 0.00 1.22 0.00 1.46 3.64 -1.32 -1.96 116.57 119.61 2k6h h LYS 224 Ca 0.09 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 2k6h h LYS 224 Cb 0.37 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2k6h h LYS 224 CO -0.00 0.93 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.80 2k6h h LEU 225 N 1.21 0.00 0.00 5.20 -0.00 -1.34 -3.48 115.31 116.90 2k6h h LEU 225 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.17 2k6h h LEU 225 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2k6h h LEU 225 CO -0.04 0.24 0.00 0.61 -0.00 0.00 0.00 178.44 179.26 2k6h n GLY 226 N 0.70 0.91 3.66 0.83 0.00 -0.42 -4.97 105.19 105.89 2k6h n GLY 226 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2k6h n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k6h s ILE 227 N -2.00 4.80 -0.51 -0.61 1.01 -1.08 -4.90 121.20 117.91 2k6h s ILE 227 Ca 0.00 1.76 0.22 0.00 0.00 0.00 0.00 60.65 62.64 2k6h s ILE 227 Cb 0.00 -4.20 -0.22 0.00 0.01 0.00 0.00 42.46 38.05 2k6h s ILE 227 CO 0.00 -0.07 0.80 2.29 0.00 0.00 0.00 174.94 177.96 2k6h n LYS 228 N 5.78 0.35 -3.67 2.79 2.85 -1.26 -3.11 118.16 121.89 2k6h n LYS 228 Ca 0.07 -0.07 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 2k6h n LYS 228 Cb 0.48 -1.55 -0.06 0.00 -0.65 0.00 0.00 35.03 33.24 2k6h n LYS 228 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2k6h s ASP 229 N -3.92 -0.26 0.27 -5.58 2.15 -1.26 -4.80 116.67 103.28 2k6h s ASP 229 Ca 0.01 -0.07 -0.00 0.00 0.43 0.00 0.00 52.55 52.92 2k6h s ASP 229 Cb 0.15 0.42 0.51 0.00 -0.30 0.00 0.00 42.92 43.69 2k6h s ASP 229 CO 0.86 -0.68 1.84 0.07 -0.17 0.00 0.00 175.17 177.08 2k6h h LYS 230 N 2.94 0.97 -0.20 4.34 2.10 -1.93 -0.70 116.57 124.10 2k6h h LYS 230 Ca -0.32 -0.06 -0.16 0.00 -2.00 0.00 0.00 60.65 58.12 2k6h h LYS 230 Cb 1.21 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 32.32 2k6h h LYS 230 CO 0.44 0.64 -0.53 -0.97 -2.00 0.00 0.00 179.45 177.03 2k6h h ASN 231 N 1.00 0.64 -0.67 7.07 -0.73 -1.98 0.58 115.58 121.50 2k6h h ASN 231 Ca 0.47 -0.34 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 2k6h h ASN 231 Cb 0.42 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 2k6h h ASN 231 CO -0.25 1.05 0.37 -0.08 -0.37 0.00 0.00 177.43 178.16 2k6h h GLU 232 N 0.45 0.93 0.01 6.67 4.57 -1.76 -1.17 114.58 124.27 2k6h h GLU 232 Ca 0.01 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2k6h h GLU 232 Cb 1.08 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 2k6h h GLU 232 CO 0.10 0.69 -0.00 0.00 -1.18 0.00 0.00 179.01 178.62 2k6h h ALA 233 N 1.18 -0.01 -0.91 2.92 0.00 -0.90 -2.85 119.26 118.69 2k6h h ALA 233 Ca 0.24 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2k6h h ALA 233 Cb 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2k6h h ALA 233 CO -0.04 -0.42 0.59 0.00 0.00 0.00 0.00 179.25 179.38 2k6h h ALA 234 N 0.81 1.45 0.00 0.00 0.00 -0.45 -0.22 119.26 120.84 2k6h h ALA 234 Ca -0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2k6h h ALA 234 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2k6h h ALA 234 CO 0.00 0.45 -0.19 0.07 0.00 0.00 0.00 179.25 179.58 2k6h h ARG 235 N 1.11 0.00 0.00 0.00 0.11 -1.28 -3.31 114.38 111.02 2k6h h ARG 235 Ca 0.37 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.45 2k6h h ARG 235 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2k6h h ARG 235 CO -0.12 0.19 -0.00 0.82 0.10 0.00 0.00 179.97 180.96 2k6h h ILE 236 N 0.00 1.50 -1.73 0.08 5.03 -0.82 -3.39 117.51 118.17 2k6h h ILE 236 Ca -0.00 -1.51 -0.48 0.00 -0.12 0.00 0.00 64.86 62.75 2k6h h ILE 236 Cb 0.98 2.51 0.08 0.00 -3.03 0.00 0.00 36.82 37.37 2k6h h ILE 236 CO 0.02 0.39 0.09 0.68 -0.68 0.00 0.00 178.15 178.65 2k6h s VAL 237 N -3.62 2.02 0.00 1.67 -7.23 -0.65 -0.85 120.40 111.74 2k6h s VAL 237 Ca -0.17 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 2k6h s VAL 237 Cb 0.00 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2k6h s VAL 237 CO 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.46 2k6h n ALA 238 N -2.80 0.80 -2.72 1.32 0.00 0.37 -4.19 120.51 113.29 2k6h n ALA 238 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.50 2k6h n ALA 238 Cb 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 2k6h n ALA 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k6h s LEU 239 N -1.07 0.74 0.14 0.00 1.02 -1.25 -4.68 118.68 113.57 2k6h s LEU 239 Ca 0.00 -1.12 0.04 0.00 0.02 0.00 0.00 54.13 53.07 2k6h s LEU 239 Cb 0.00 1.12 -0.04 0.00 0.02 0.00 0.00 46.19 47.28 2k6h s LEU 239 CO 0.00 -0.99 -0.10 0.68 0.02 0.00 0.00 176.35 175.96 2k6h s VAL 240 N -4.07 1.12 1.19 -1.59 -7.23 -1.23 -4.96 120.40 103.62 2k6h s VAL 240 Ca 0.29 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 2k6h s VAL 240 Cb 0.03 -1.79 0.29 0.00 0.56 0.00 0.00 36.38 35.47 2k6h s VAL 240 CO 0.09 -0.74 1.02 -0.75 -0.31 0.00 0.00 175.10 174.42 2k6h s LYS 241 N -3.65 -1.15 -0.74 4.82 2.20 -1.26 -1.97 119.74 117.98 2k6h s LYS 241 Ca 0.15 0.60 -0.24 0.00 -0.36 0.00 0.00 55.97 56.12 2k6h s LYS 241 Cb 0.02 -1.55 -0.19 0.00 -1.51 0.00 0.00 37.83 34.60 2k6h s LYS 241 CO 0.00 -3.82 1.87 0.27 -0.36 0.00 0.00 175.35 173.32 2k6h n ASN 242 N -4.95 2.25 -2.34 1.43 0.23 -1.26 -3.95 115.26 106.68 2k6h n ASN 242 Ca 0.05 -2.63 -0.16 0.00 -0.53 0.00 0.00 54.58 51.30 2k6h n ASN 242 Cb 0.56 -1.18 -0.12 0.00 -2.08 0.00 0.00 39.78 36.96 2k6h n ASN 242 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k6h n GLN 243 N 7.58 2.11 0.03 -3.83 1.13 -1.26 -4.43 117.38 118.71 2k6h n GLN 243 Ca 0.47 -1.14 -0.15 0.00 -1.94 0.00 0.00 57.00 54.25 2k6h n GLN 243 Cb 0.43 -2.12 -0.04 0.00 0.11 0.00 0.00 30.24 28.62 2k6h n GLN 243 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k6h h THR 244 N 2.36 1.34 -2.79 5.09 1.03 -1.93 -3.45 112.91 114.56 2k6h h THR 244 Ca 0.31 -2.17 -0.53 0.00 -0.01 0.00 0.00 66.41 64.01 2k6h h THR 244 Cb 1.08 2.18 0.04 0.00 -1.07 0.00 0.00 68.15 70.37 2k6h h THR 244 CO 0.60 0.66 0.91 -0.89 -0.01 0.00 0.00 175.52 176.79 2k6h s THR 245 N -3.54 2.75 0.27 0.00 2.01 -1.26 -4.92 115.64 110.95 2k6h s THR 245 Ca -0.08 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.39 2k6h s THR 245 Cb 0.09 -3.30 0.10 0.00 0.01 0.00 0.00 72.50 69.40 2k6h s THR 245 CO 0.88 0.03 1.75 0.00 -0.69 0.00 0.00 174.62 176.59 2k6h h ALA 246 N 7.23 1.12 -1.55 7.40 0.00 -2.00 -3.36 119.26 128.10 2k6h h ALA 246 Ca -0.43 -0.29 -0.53 0.00 0.00 0.00 0.00 54.91 53.66 2k6h h ALA 246 Cb 1.20 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2k6h h ALA 246 CO 0.92 0.55 1.22 0.00 0.00 0.00 0.00 179.25 181.94 2k6h s ALA 247 N -4.78 2.55 -2.00 0.00 0.00 -1.26 -5.12 121.76 111.15 2k6h s ALA 247 Ca -0.08 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2k6h s ALA 247 Cb 0.14 -4.20 0.17 0.00 0.00 0.00 0.00 23.12 19.24 2k6h s ALA 247 CO 0.80 -3.34 0.65 0.00 0.00 0.00 0.00 175.76 173.87